SCHEMBL6213685

SCHEMBL6213685

CCC(=O)c1ccccc1OCC(O)CN1CCC(Oc2ccc(F)c(F)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 14/20 0.57
KCNH2 Q12809 2/20 0.46
CCR1 P32246 1/20 0.46
HRH1 P35367 1/20 0.46
CCR3 P51677 1/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6211742 0.95 ABCB1 (0.62) ABCB1KCNH2CCR1HRH1CCR3
SCHEMBL6213645 0.91 ABCB1 (0.56) ABCB1CCR1HRH1CCR3DRD2
SCHEMBL6212964 0.91 ABCB1 (0.65) ABCB1KCNH2DRD2DRD4DRD3
SCHEMBL6214602 0.89 ABCB1 (0.45) ABCB1CCR1HRH1CCR3DRD2
SCHEMBL6210369 0.89 ABCB1 (0.60) ABCB1KCNH2DRD2DRD4DRD3
SCHEMBL6215021 0.88 HRH1 (0.59) ABCB1KCNH2CCR1HRH1CCR3
SCHEMBL6214735 0.86 ABCB1 (0.69) ABCB1DRD2DRD4DRD3
SCHEMBL6212264 0.86 DRD4 (0.49) KCNH2CCR1HRH1CCR3DRD2
SCHEMBL6211304 0.85 CCR3 (0.44) ABCB1KCNH2CCR1HRH1CCR3
SCHEMBL6213877 0.84 ABCB1 (0.57) ABCB1HRH1CCR3DRD2DRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP claimed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US claimed
US-6951874-B2 Compounds ASTRAZENECA AB (SE) 2005-10-04 US disclosed
US-6943188-B2 Hydroxyalkyl compounds ASTRAZENECA AB (SE) 2005-09-13 US disclosed
US-6927222-B2 1,3,4,5-tetrahydro-pyrido(4,3-b)indole-2-yl derivative useful for treating rheumatoid arthritis, chronic obstructive pulmonary disease, asthma and multple sclerosis ASTRAZENECA AB (SE) 2005-08-09 US disclosed
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
CN-1458281-A Coronary virus RNA interference preparation for severe acute respiratory syndrome pathogen HUANQIU ZHONGJIA BIOLOG SCIENC (CN) 2003-11-26 CN disclosed
US-20030158225-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-21 US disclosed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US disclosed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 US disclosed
CN-1426412-A Novel compounds ASTRAZENECA AB (SE) 2003-06-25 CN disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263760-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030158225-A1 Novel compounds UGT2B7, RPS4Y1, RPS4X ABCB1 116/4885KCNH2 1648/4885CCR1 867/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 ABCB1 113/4885KCNH2 1753/4885CCR1 747/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 ABCB1 132/4885KCNH2 1469/4885CCR1 1236/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.